1131037 logo
canSAR1131037
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
    InChI
    InChI=1S/C30H42N6O6S/c1-18(2)26(36-28(40)22(31)15-20-9-11-21(37)12-10-20)30(42)33-17-25(38)34-24(16-19-7-5-4-6-8-19)29(41)35-23(27(32)39)13-14-43-3/h4-12,18,22-24,26,37H,13-17,31H2,1-3H3,(H2,32,39)(H,33,42)(H,34,38)(H,35,41)(H,36,40)/t22-,23+,24+,26-/m0/s1
    MOLECULAR FORMULA
    C30H42N6O6S
    CROSS REFERENCES
    1131037 logo

    canSAR1131037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.29
    AlogP -0.03
    HBond donors 9
    HBond acceptors 12
    Atoms 85
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1131037.